Variational Hirshfeld Partitioning: General Framework and the Additive Variational Hirshfeld Partitioning Method

Farnaz Heidar-Zadeh, Carlos Castillo-Orellana, Maximilian van Zyl, Leila Pujal, Toon Verstraelen, Patrick Bultinck, Esteban Vöhringer-Martinez, Paul W. Ayers

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DOI: 10.1021/acs.jctc.4c01077
Published: 2024-11-08
Container: Journal of Chemical Theory and Computation
Publisher: American Chemical Society (ACS)
Open access: unknown

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Cite this work

BibTeX

@article{allodium:10.1021/acs.jctc.4c01077,
  title = {Variational Hirshfeld Partitioning: General Framework and the Additive Variational Hirshfeld Partitioning Method},
  author = {Farnaz Heidar-Zadeh and Carlos Castillo-Orellana and Maximilian van Zyl and Leila Pujal and Toon Verstraelen and Patrick Bultinck and Esteban Vöhringer-Martinez and Paul W. Ayers},
  year = {2024},
  journal = {Journal of Chemical Theory and Computation},
  doi = {10.1021/acs.jctc.4c01077},
  url = {https://doi.org/10.1021/acs.jctc.4c01077}
}

RIS

TY  - JOUR
TI  - Variational Hirshfeld Partitioning: General Framework and the Additive Variational Hirshfeld Partitioning Method
AU  - Farnaz Heidar-Zadeh
AU  - Carlos Castillo-Orellana
AU  - Maximilian van Zyl
AU  - Leila Pujal
AU  - Toon Verstraelen
AU  - Patrick Bultinck
AU  - Esteban Vöhringer-Martinez
AU  - Paul W. Ayers
PY  - 2024
JO  - Journal of Chemical Theory and Computation
DO  - 10.1021/acs.jctc.4c01077
UR  - https://doi.org/10.1021/acs.jctc.4c01077
ER  -

APA

Heidar-Zadeh, F., Castillo-Orellana, C., Zyl, M. V., Pujal, L., Verstraelen, T., Bultinck, P., Vöhringer-Martinez, E., & Ayers, P. W. (2024). Variational Hirshfeld Partitioning: General Framework and the Additive Variational Hirshfeld Partitioning Method. Journal of Chemical Theory and Computation. https://doi.org/10.1021/acs.jctc.4c01077

Source records

crossref · retrieved 2026-09-25T18:12:31.394Z